N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide

C33H51N3O8S — CID 67808792

About N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide

N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide (PubChem CID 67808792) has the molecular formula C33H51N3O8S and a molecular weight of 649.85 g/mol. Its IUPAC name is N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide.

Molecular Properties

• Compound Name: N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide
• PubChem CID: 67808792
• Molecular Formula: C33H51N3O8S
• Molecular Weight: 649.85 g/mol
• Exact Mass: 649.34
• IUPAC Name: N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide
• SMILES: CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)NCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1ccccc1
• InChI: InChI=1S/C33H51N3O8S/c1-33(2,32(41)36-15-17-44-18-16-36)45(42,43)22-26(24-11-7-4-8-12-24)20-28(37)34-21-29(38)35-27(19-23-9-5-3-6-10-23)31(40)30(39)25-13-14-25/h4,7-8,11-12,23,25-27,30-31,39-40H,3,5-6,9-10,13-22H2,1-2H3,(H,34,37)(H,35,38)/t26?,27-,30-,31+/m0/s1
• InChIKey: IYJYDGYWZWOHIX-ZOZFVOPRSA-N
• XLogP: 1.92
• TPSA: 162.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.85
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide?

The IUPAC name of N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide (CID 67808792) is N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide.

What is the SMILES notation for N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide?

The canonical SMILES for N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide is CC(C)(C(=O)N1CCOCC1)S(=O)(=O)CC(CC(=O)NCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1ccccc1.

What is the InChIKey of N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide?

The InChIKey is IYJYDGYWZWOHIX-ZOZFVOPRSA-N. The full InChI is InChI=1S/C33H51N3O8S/c1-33(2,32(41)36-15-17-44-18-16-36)45(42,43)22-26(24-11-7-4-8-12-24)20-28(37)34-21-29(38)35-27(19-23-9-5-3-6-10-23)31(40)30(39)25-13-14-25/h4,7-8,11-12,23,25-27,30-31,39-40H,3,5-6,9-10,13-22H2,1-2H3,(H,34,37)(H,35,38)/t26?,27-,30-,31+/m0/s1.

What are the key properties of N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide?

N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide has a molecular weight of 649.85 g/mol, XLogP of 1.92, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-2-oxoethyl]-4-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonyl-3-phenylbutanamide is sourced from PubChem (CID 67808792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).